P6949   Click here for help

GtoPdb Ligand ID: 8877

Compound class: Synthetic organic
Comment: P6949 is a arylstibonate compound designed to inhibit Cdc25a (CDC25A; P30304) and Cdc25b (CDC25B; P30305) phosphatase activity [1]. It also inhibits protein tyrosine phosphatase PTP-β (PTPRB, P23467) by ≥90%.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 94.83
Molecular weight 319.96
XLogP 1.34
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)CCc1cccc(c1)[Sb](=O)(O)O
Isomeric SMILES OC(=O)CCc1cccc(c1)[Sb](=O)(O)O
InChI InChI=1S/C9H9O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-5H,6-7H2,(H,10,11);2*1H2;;/q;;;;+2/p-2
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
phosphatase and tensin homolog Hs Inhibitor Inhibition 5.1 pIC50 - 1
pIC50 5.1 (IC50 8.87x10-6 M) [1]